N-(3-chloro-4-methoxy-8-phenyl-5,8-dihydronaphthalen-1-yl)-4-methylbenzenesulfonamide

C24H22ClNO3S — CID 101347129

IUPACN-(3-chloro-4-methoxy-8-phenyl-5,8-dihydronaphthalen-1-yl)-4-methylbenzenesulfonamide
SMILESCOc1c(Cl)cc(NS(=O)(=O)c2ccc(C)cc2)c2c1CC=CC2c1ccccc1
InChIInChI=1S/C24H22ClNO3S/c1-16-11-13-18(14-12-16)30(27,28)26-22-15-21(25)24(29-2)20-10-6-9-19(23(20)22)17-7-4-3-5-8-17/h3-9,11-15,19,26H,10H2,1-2H3
InChIKeyKELFTFMTAKEVMB-UHFFFAOYSA-N
MW439.96 g/mol
LogP5.70
Rot. Bonds5

About N-(3-chloro-4-methoxy-8-phenyl-5,8-dihydronaphthalen-1-yl)-4-methylbenzenesulfonamide

N-(3-chloro-4-methoxy-8-phenyl-5,8-dihydronaphthalen-1-yl)-4-methylbenzenesulfonamide (PubChem CID 101347129) has the molecular formula C24H22ClNO3S and a molecular weight of 439.96 g/mol. Its IUPAC name is N-(3-chloro-4-methoxy-8-phenyl-5,8-dihydronaphthalen-1-yl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxy-8-phenyl-5,8-dihydronaphthalen-1-yl)-4-methylbenzenesulfonamide
PubChem CID101347129
Molecular FormulaC24H22ClNO3S
Molecular Weight439.96 g/mol
Exact Mass439.10
IUPAC NameN-(3-chloro-4-methoxy-8-phenyl-5,8-dihydronaphthalen-1-yl)-4-methylbenzenesulfonamide
SMILESCOc1c(Cl)cc(NS(=O)(=O)c2ccc(C)cc2)c2c1CC=CC2c1ccccc1
InChIInChI=1S/C24H22ClNO3S/c1-16-11-13-18(14-12-16)30(27,28)26-22-15-21(25)24(29-2)20-10-6-9-19(23(20)22)17-7-4-3-5-8-17/h3-9,11-15,19,26H,10H2,1-2H3
InChIKeyKELFTFMTAKEVMB-UHFFFAOYSA-N
XLogP5.70
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.96
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(4-chloro-2,5-dimethoxyphenyl)benzenesulfonamide
CID 710996
4-methyl-N-(2,4,5-trimethoxyphenyl)benzenesulfonamide
CID 101056071
N-(4-hydroxy-8-methyl-5,8-dihydronaphthalen-1-yl)-4-methylbenzenesulfonamide
CID 11450307
N-[2,5-dimethoxy-4-[(4-methylphenyl)sulfonylamino]phenyl]benzenecarbothioamide
CID 10718059
N-(4-chloro-5-cyclopropyl-2-iodo-3-methoxyphenyl)-4-methylbenzenesulfonamide
CID 88851961
N-(3-chloro-2-ethoxyphenyl)-4-methylbenzenesulfonamide
CID 169370534
N-(2,4-dibromo-6-chloro-3-methoxyphenyl)-4-methylbenzenesulfonamide
CID 169370736
N-(4-amino-2,5-dichlorophenyl)-4-methylbenzenesulfonamide
CID 3637630
N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-4-methylbenzenesulfonamide
CID 1318754
N-[2-[chloro(phenyl)methyl]phenyl]-4-methylbenzenesulfonamide
CID 172728368
N-(5-methoxy-2-phenylphenyl)-4-methylbenzenesulfonamide
CID 169370137
N-(2-bromo-5-chloro-4-methylphenyl)benzenesulfonamide
CID 113443382

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxy-8-phenyl-5,8-dihydronaphthalen-1-yl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(3-chloro-4-methoxy-8-phenyl-5,8-dihydronaphthalen-1-yl)-4-methylbenzenesulfonamide (CID 101347129) is N-(3-chloro-4-methoxy-8-phenyl-5,8-dihydronaphthalen-1-yl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(3-chloro-4-methoxy-8-phenyl-5,8-dihydronaphthalen-1-yl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(3-chloro-4-methoxy-8-phenyl-5,8-dihydronaphthalen-1-yl)-4-methylbenzenesulfonamide is COc1c(Cl)cc(NS(=O)(=O)c2ccc(C)cc2)c2c1CC=CC2c1ccccc1.
What is the InChIKey of N-(3-chloro-4-methoxy-8-phenyl-5,8-dihydronaphthalen-1-yl)-4-methylbenzenesulfonamide?
The InChIKey is KELFTFMTAKEVMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClNO3S/c1-16-11-13-18(14-12-16)30(27,28)26-22-15-21(25)24(29-2)20-10-6-9-19(23(20)22)17-7-4-3-5-8-17/h3-9,11-15,19,26H,10H2,1-2H3.
What are the key properties of N-(3-chloro-4-methoxy-8-phenyl-5,8-dihydronaphthalen-1-yl)-4-methylbenzenesulfonamide?
N-(3-chloro-4-methoxy-8-phenyl-5,8-dihydronaphthalen-1-yl)-4-methylbenzenesulfonamide has a molecular weight of 439.96 g/mol, XLogP of 5.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxy-8-phenyl-5,8-dihydronaphthalen-1-yl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 101347129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).